2-cyano-3-oxidanylidene-N-[1-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)piperidin-4-yl]butanamide

Systemtic Name: 2-cyano-3-oxidanylidene-N-[1-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)piperidin-4-yl]butanamide Openeye Name: 2-cyano-3-oxo-N-[1-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)-4-piperidyl]butanamide CAS Name: 2-cyano-3-oxo-N-[1-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)-4-piperidinyl]butanamide IUPAC Name: 2-cyano-3-oxo-N-[1-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)piperidin-4-yl]butanamide Traditional Name: 2-cyano-3-keto-N-[1-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)-4-piperidyl]butyramide Formula: C21H22N6O2S MolecularWeight: 422.50338

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C#N)C(=O)NC1CCN(CC1)CC2=CC3=C(C=C2)SC4=NC=CN=C4N3

Isomeric SMILES

CC(=O)C(C#N)C(=O)NC1CCN(CC1)CC2=CC3=C(C=C2)SC4=NC=CN=C4N3

InChI

InChI=1S/C21H22N6O2S/c1-13(28)16(11-22)20(29)25-15-4-8-27(9-5-15)12-14-2-3-18-17(10-14)26-19-21(30-18)24-7-6-23-19/h2-3,6-7,10,15-16H,4-5,8-9,12H2,1H3,(H,23,26)(H,25,29)